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Updated: Nov 27, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Two-Dimensional Electronic Transport in Rubrene: The Impact of Inter-Chain Coupling
Ahmed Missaoui1,2, Jouda Jemaa Khabthani3, Guy Trambly de Laissardière2
1Laboratoire de Spectroscopie Atomique Moléculaire et Applications, Département de Physique, Faculté des Sciences de Tunis, Université de Tunis El Manar, Campus Universitaire, 1060 Tunis, Tunisia.
Abstract:
Organic semi-conductors have unique electronic properties and are important systems both at the fundamental level and also for their applications in electronic devices. In this article we focus on the particular case of rubrene which has one of the best electronic transport properties for application purposes. We show that this system can be well simulated by simple tight-binding systems representing one-dimensional (1D) chains that are weakly coupled to their neighboring chains in the same plane. This makes in principle this rubrene system somehow intermediate between 1D and isotropic 2D models. We analyse in detail the dc-transport and terahertz conductivity in the 1D and in the anisotropic 2D models. The transient localisation scenario allows us to reproduce satisfactorily some basics results such as mobility anisotropy and orders of magnitude as well as ac-conductivity in the terahertz range. This model shows in particular that even a weak inter-chain coupling is able to improve notably the propagation along the chains. This suggest also that a strong inter-chain coupling is important to get organic semi-conductors with the best possible transport properties for applicative purposes.
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